SCHEMBL21452380

SCHEMBL21452380

CC(C)(C)OC(=O)NC1(c2cccc(F)c2)CCCC(O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
CYP2C19 P33261 3/20 0.36
RORC P51449 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
F2R P25116 1/20 0.35
SCN9A Q15858 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
RIPK1 Q13546 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
SLC6A4 P31645 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21451897 0.88 HDAC4 (0.39) GPR119DDB1CRBNNPC1RAB9A
SCHEMBL21452431 0.88 RXFP1 (0.39) OPRM1OPRL1SCN9ASLC6A4SLC6A3
SCHEMBL21452111 0.87 RORC (0.43) RORCDDB1CRBNSCN9AALDH1A1
SCHEMBL26451027 0.87 KMT2A (0.38) RORCDDB1CRBNTSHR
SCHEMBL21452133 0.87 SLC6A4 (0.41) OPRM1NPC1CASP3RAB9ASENP7
SCHEMBL21452168 0.86 TAS1R3 (0.40) DDB1CRBNSCN9ASLC6A9
SCHEMBL21452472 0.85 SIRT2 (0.39) RORCDDB1CRBNSLC6A4GRM5
SCHEMBL21451903 0.85 DDB1 (0.36) RORCGPR119DDB1CRBNSCN9A
SCHEMBL23490930 0.84 DDB1 (0.35) RORCDDB1CRBNNPC1RAB9A
SCHEMBL21452463 0.84 DPP8 (0.33) RORCDDB1CRBNSCN9ARIPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JIANHE PHARMACEUTICAL & TECHNOLOGY CO. LTD. (CN) 2021-06-10 US disclosed
EP-3778579-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jianhe Pharmaceutical & Technology Co. Ltd. (CN) 2021-02-17 EP disclosed
WO-2019192602-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海键合医药科技有限公司 2019-10-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, PAH, COMT OPRM1 1435/4885OPRL1 792/4885CYP2C19 502/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.